input word = C00013779

Metabolite InformationStructural formula
Name Kaempferol 3-(3'',4''-diacetylglucoside)
Formula C25H24O13
Mw 532.12169086
CAS RN
C_ID C00013779 ,
InChIKey ZZHGMPLMFXXKJP-RDIOATKXNA-N
InChICode InChI=1S/C25H24O13/c1-10(27)34-22-17(9-26)37-25(20(33)24(22)35-11(2)28)38-23-19(32)18-15(31)7-14(30)8-16(18)36-21(23)12-3-5-13(29)6-4-12/h3-8,17,20,22,24-26,29-31,33H,9H2,1-2H3/t17-,20-,22-,24+,25+/m1/s1
SMILES c1c(ccc(c1)O)c1oc2c(c(=O)c1O[C@H]1[C@@H]([C@@H]([C@@H]([C@H](O1)CO)OC(=O)C)OC(=O)C)O)c(cc(c2)O)O
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeLabiataeMinthostachys spicata Ref.
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OrganismMinthostachys spicata
ReferenceSenatore,Biochem.Syst.Ecol.,23,(1995),573